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Ho2Tm3

Alexandria ALEX

Alex-ID: agm014480293 · Space group: Immm (#71)

Basic Information

Formula
Ho2Tm3
Alex-ID
agm014480293
Elements
2
Sites
5
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
150.75
ų
Cell a
9.2394
Å
Cell b
9.2394
Å
Cell c
9.2394
Å
α angle
158.18
°
β angle
149.00
°
γ angle
38.23
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2Tm3
Ho
2.00 · 40.0%
Tm
3.00 · 60.0%

Energy & Stability

Energy above hull
0.0325
eV/atom
Formation energy
0.0250
eV/atom
Corrected total energy
-22.4466
eV
Raw total energy
-22.4466
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.0870
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3_286_spg139

Decomposition

HoTm2 Ho7Tm2

Computed at

2025-04-15 18:06:49

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014480293).

Reference

Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620

BibTeX
@article{Cavignac2026Alexandria,
  author  = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
             and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
             and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
             and Marques, Miguel A. L.},
  title   = {{AI}-Driven expansion and application of the {A}lexandria database},
  journal = {Journal of Physics: Materials},
  year    = {2026},
  volume  = {9},
  number  = {2},
  pages   = {025014},
  doi     = {10.1088/2515-7639/ae6620},
  url     = {https://doi.org/10.1088/2515-7639/ae6620}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm014480293
data_agm014480293
_cell_length_a     9.23940
_cell_length_b     9.23940
_cell_length_c     9.23940
_cell_angle_alpha  158.18240
_cell_angle_beta   149.00134
_cell_angle_gamma  38.22833
_cell_volume       150.75431
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
  Ho1 Ho 0.69952 0.19952 0.50000 1.00000
  Ho2 Ho 0.30048 0.80048 0.50000 1.00000
  Tm1 Tm 0.09946 0.59946 0.50000 1.00000
  Tm2 Tm 0.90054 0.40054 0.50000 1.00000
  Tm3 Tm 0.50000 0.00000 0.50000 1.00000
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